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GitHub / xiaoruiDong / easy_rmg_model
Contains some of the scripts and APIs to easily build a model by RMG
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/xiaoruiDong%2Feasy_rmg_model
Stars: 0
Forks: 2
Open Issues: 3
License: mit
Language: Python
Repo Size: 192 KB
Dependencies:
60
Created: about 4 years ago
Updated: over 2 years ago
Last pushed: almost 2 years ago
Last synced: about 1 year ago
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Dependencies
environment.yml
conda
- ase >=3.15.0
- cairo
- cairocffi
- cantera >=2.3.0
- cclib >=1.6
- chemprop
- coolprop
- coverage
- cython >=0.25.2
- ffmpeg
- gprof2dot
- graphviz
- h5py
- ipython
- jinja2
- jupyter
- lpsolve55
- markupsafe
- matplotlib >=2.2.2
- mock
- mopac
- mpmath
- networkx
- nose
- numdifftools
- numpy >=1.15.4
- openbabel
- pandas >=1.0.1
- paramiko >=2.6.0
- psutil
- py3dmol >=0.8.0
- pydas >=1.0.1
- pydot
- pydqed >=1.0.0
- pymongo
- pyparsing
- pyrdl
- python >=3.7
- pyyaml
- qcelemental
- quantities
- rdkit >=2019.09.2.0
- scikit-learn
- scipy
- sphinx
- symmetry
- xlwt
requirements.txt
pypi